Molecular dynamics of 1-decanol in solution studied by NMR coupled relaxation and stochastic dynamic simulations

F Liu, WJ Horton, CL Mayne, TX Xiang…

文献索引：Liu, Fang; Horton; Mayne, Charles L.; Xiang, Tian-Xiang; Grant, David M. Journal of the American Chemical Society, 1992 , vol. 114, # 13 p. 5281 - 5294

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被引用次数: 17

摘要

Abstract: The isotopic” C labeled 1-decanols at positions 1, 5, and 9 have been synthesized and their dynamics in (CD30-CD2CD2) 20, CD3CD20D, and CD2C12 solvents have been studied by I3C-coupled relaxation methods. The experiments were performed in the temperature range of 245-298 K. The data were fitted using the Redfield theory of nuclear spin relaxation to yield dipolar spectral densities which were then transformed into ...